D635-0116 Screening compound: 3-(4-fluorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one

D635-0116 Screening compound: 3-(4-fluorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one
D635-0116 Screening compound: 3-(4-fluorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D635-0116
3-(4-fluorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D635-0116

Molecular Formula

C21H21FN2O3 (C21 H21 FN2 O3)

Compound Name

3-(4-fluorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one

IUPAC name

3-(4-fluorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one

SMILES

CN1CCN(Cc(c(O2)c(cc3)C=C(c(cc4)ccc4F)C2=O)c3O)CC1

InChI

InChI=1S/C21H21FN2O3/c1-23-8-10-24(11-9-23)13-18-19(25)7-4-15-12-17(21(26)27-20(15)18)14-2-5-16(22)6-3-14/h2-7,12,25H,8-11,13H2,1H3

InChI Key

XAMXIYROZKUSPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06002392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

1.989

Water Solubility, LogSw

-3.13

Polar Surface Area

44.330

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D635-0116 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D635-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D635-0116?
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What is the minimum amount of D635-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D635-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D635-0116
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D635-0116 available by request